CID 169310

Benzenediazonium, 2,4-dinitro-, sulfate (2:1)

Structural Information

Molecular Formula
C6H3N4O4
SMILES
C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])[N+]#N
InChI
InChI=1S/C6H3N4O4/c7-8-5-2-1-4(9(11)12)3-6(5)10(13)14/h1-3H/q+1
InChIKey
DDIRMYDKDGJBIQ-UHFFFAOYSA-N
Compound name
2,4-dinitrobenzenediazonium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

25
Patents

195.01543 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.02271 150.3
[M+Na]+ 218.00465 158.1
[M-H]- 194.00815 154.4
[M+NH4]+ 213.04925 164.6
[M+K]+ 233.97859 145.5
[M+H-H2O]+ 178.01269 147.6
[M+HCOO]- 240.01363 173.3
[M+CH3COO]- 254.02928 185.5
[M+Na-2H]- 215.99010 160.0
[M]+ 195.01488 141.8
[M]- 195.01598 141.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe